5-(2-Adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione

• CAS: 51757-47-2
• Catalog Number: ACM51757472
• Category: Micro/NanoElectronics
• Molecular Weight: 276.33
• Molecular Formula: C₁₆H₂₀O₄
• Synonyms: 5-(2-ADAMANTYLIDENE)-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE;5-(2-adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6
• IUPAC Name: 5-(2-adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
• Canonical SMILES: CC1(C)OC(=O)C(\C(=O)O1)=C2\C3CC4CC(C3)CC2C4
• InChI: 1S/C16H20O4/c1-16(2)19-14(17)13(15(18)20-16)12-10-4-8-3-9(6-10)7-11(12)5-8/h8-11H,3-7H2,1-2H3/t8-,9+,10-,11+
• InChI Key: SIYYOHROEIZBBC-DTIDVZRVSA-N
• Boiling Point: 495.1ºC at 760 mmHg
• Melting Point: 207-208 °C (lit.)
• Flash Point: 259.8ºC
• Density: 1.242g/mL
• Storage: room temp
• Assay: 99%
• Exact Mass: 276.13600
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• MDL Number: MFCD00167792
• Packaging: 5 g in glass bottle
• Quality Level: 100
• WGK Germany: 3

Custom Q&A

What is the molecular formula of the compound with PubChem CID 726475?

The molecular formula is C16H20O4.

What are the synonyms for the compound with PubChem CID 726475?

The synonyms are 51757-47-2, 5-(2-Adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione, 5-(adamantan-2-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione, 2,2-dimethyl-5-tricyclo[3.3.1.1~3,7~]dec-2-yliden-1,3-dioxane-4,6-dione, Oprea1_495578.

What is the molecular weight of the compound with PubChem CID 726475?

The molecular weight is 276.33 g/mol.

What is the IUPAC name of the compound with PubChem CID 726475?

The IUPAC name is 5-(2-adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione.

What is the InChI of the compound with PubChem CID 726475?

The InChI is InChI=1S/C16H20O4/c1-16(2)19-14(17)13(15(18)20-16)12-10-4-8-3-9(6-10)7-11(12)5-8/h8-11H,3-7H2,1-2H3.

What is the InChIKey of the compound with PubChem CID 726475?

The InChIKey is SIYYOHROEIZBBC-UHFFFAOYSA-N.

What is the canonical SMILES of the compound with PubChem CID 726475?

The canonical SMILES is CC1(OC(=O)C(=C2C3CC4CC(C3)CC2C4)C(=O)O1)C.

What is the CAS number of the compound with PubChem CID 726475?

The CAS number is 51757-47-2.

What is the XLogP3-AA value of the compound with PubChem CID 726475?

The XLogP3-AA value is 3.4.

Is the compound with PubChem CID 726475 canonicalized?

Yes, the compound is canonicalized.